The single crystal X-ray diffraction study of the highly reactive cis -stilbene complex of molybdenocene Cp 2 Mo(η 2 - cis -PhCH=CHPh) is reported. Structural details relevant to the remarkable lability of this 18-electron complex of molybdenum(II) include an unsymmetrical η 2 -bonding of cis -stilbene. The proton-catalyzed cis - trans isomerization of the stilbene ligand has also been investigated by DFT computations. The behavior of Cp 2 Mo(η 2 - cis -PhCH=CHPh) can be explained by the steric repulsion between the bent d 4 -metallocene fragment and the two phenyl groups of the olefinic ligand.
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Okuda et al. (2026) studied this question.
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